Compound Detail
CHEMBL1276427
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Basic Information
| ChEMBL ID | CHEMBL1276427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZJGINKCKLOPKC-VIFPVBQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.7
MW (Da)
3.03
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | IC50 | 7.24 | 7.24 | 57.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 57.54 | nM | 7.24 | Antagonist activity at dopamine D2 receptor | 20728966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20728966 | 10.1016/j.ejmech.2010.07.056 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine